U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H19N5O6S
Molecular Weight 373.385
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of OPEN-RING DESULFATED AZTREONAM

SMILES

C[C@H](N)[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\C1=CSC(N)=N1)C(O)=O

InChI

InChIKey=VWNDKSPHIKVWBM-VQSOLXJISA-N
InChI=1S/C13H19N5O6S/c1-5(14)7(10(20)21)17-9(19)8(6-4-25-12(15)16-6)18-24-13(2,3)11(22)23/h4-5,7H,14H2,1-3H3,(H2,15,16)(H,17,19)(H,20,21)(H,22,23)/b18-8-/t5-,7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H19N5O6S
Molecular Weight 373.385
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 10:46:50 UTC 2023
Edited
by admin
on Thu Jul 06 10:46:50 UTC 2023
Record UNII
D2GEP437EQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OPEN-RING DESULFATED AZTREONAM
Common Name English
(2S,3S)-3-AMINO-2-((Z)-2-(2-AMINOTHIAZOL-4-YL)-2-(2-CARBOXYPROPAN-2-YLOXYIMINO)ACETAMIDO(BUTANOIC ACID
Common Name English
BUTANOIC ACID, 3-AMINO-2-(((2Z)-(2-AMINO-4-THIAZOLYL)((1-CARBOXY-1-METHYLETHOXY)IMINO)ACETYL)AMINO)-, (2S,3S)-
Common Name English
BUTANOIC ACID, 3-AMINO-2-(((2-AMINO-4-THIAZOLYL)((1-CARBOXY-1-METHYLETHOXY)IMINO)ACETYL)AMINO)-, (S-(R*,R*-(Z)))-
Common Name English
BUTANOIC ACID, 3-AMINO-2-(((2Z)-2-(2-AMINO-4-THIAZOLYL)-2-((1-CARBOXY-1-METHYLETHOXY)IMINO)ACETYL)AMINO)-, (2S,3S)-
Common Name English
Code System Code Type Description
PUBCHEM
71587392
Created by admin on Thu Jul 06 10:46:50 UTC 2023 , Edited by admin on Thu Jul 06 10:46:50 UTC 2023
PRIMARY
FDA UNII
D2GEP437EQ
Created by admin on Thu Jul 06 10:46:50 UTC 2023 , Edited by admin on Thu Jul 06 10:46:50 UTC 2023
PRIMARY
CAS
102586-36-7
Created by admin on Thu Jul 06 10:46:50 UTC 2023 , Edited by admin on Thu Jul 06 10:46:50 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
Open-ring aztreonam and open-ring desulfated aztreonam coelute. The limit is for the sum of these two impurities (1.0 WEIGHT PERCENT)
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP